CID 3068849

2-(2-(2-(4-(4-chlorophenyl)benzyl-1-piperazinyl)ethoxy)ethoxy)acetamide dihydrochloride

Structural Information

Molecular Formula
C23H30ClN3O3
SMILES
C1CN(CCN1CCOCCOCC(=O)N)C(C2=CC=CC=C2)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C23H30ClN3O3/c24-21-8-6-20(7-9-21)23(19-4-2-1-3-5-19)27-12-10-26(11-13-27)14-15-29-16-17-30-18-22(25)28/h1-9,23H,10-18H2,(H2,25,28)
InChIKey
GVGYRKPEGABQIB-UHFFFAOYSA-N
Compound name
2-[2-[2-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]ethoxy]ethoxy]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

431.19757 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 432.20485 203.5
[M+Na]+ 454.18679 205.2
[M-H]- 430.19029 207.7
[M+NH4]+ 449.23139 209.4
[M+K]+ 470.16073 199.3
[M+H-H2O]+ 414.19483 191.8
[M+HCOO]- 476.19577 213.7
[M+CH3COO]- 490.21142 228.3
[M+Na-2H]- 452.17224 202.0
[M]+ 431.19702 203.4
[M]- 431.19812 203.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe